Toluene → 3-Biphenyl-4-yl-5-chloromethyl-4-(2-fluorophenyl)-4H-1,2,4-triazole

HRID 192654

Reaction equation

HRID 192654 reaction equation
[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH:31]([Cl:32])([Cl:33])[Cl:34].[S:27]([Cl:28])([Cl:29])=[O:30].[c:1]1(-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:2][cH:3][c:4](-[c:7]2[n:8](-[c:14]3[c:15]([F:20])[cH:16][cH:17][cH:18][cH:19]3)[c:9]([CH2:12][OH:13])[n:10][n:11]2)[cH:5][cH:6]1>>[c:1]1(-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:2][cH:3][c:4](-[c:7]2[n:8](-[c:14]3[c:15]([F:20])[cH:16][cH:17][cH:18][cH:19]3)[c:9]([CH2:12][Cl:29])[n:10][n:11]2)[cH:5][cH:6]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6212ChloroformHCID 24386Thionyl ChlorideHCID 22019266[5-Biphenyl-4-yl-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]methanol

Product 1

HCID 220192313-Biphenyl-4-yl-5-chloromethyl-4-(2-fluorophenyl)-4H-1,2,4-triazole

Sources & evidence

ORD record
ord-67026e0655484604b7ad872a71cf3306
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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